SCHEMBL14475206

SCHEMBL14475206

Nc1nc(-c2cccnc2)nc2ccc(-c3ccccc3F)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ GLA P06280 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ USP1 O94782 1/20 0.47
▸ WDR48 Q8TAF3 1/20 0.47
▸ ADORA2A P29274 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ BACE1 P56817 1/20 0.46
▸ PDE5A O76074 3/20 0.46
▸ CYP1A2 P05177 3/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14475085 0.91 WNT1 (0.45) MAP4K4KDM4EHPGDALDH1A1GLA
SCHEMBL14475173 0.88 PDE5A (0.49) KDM4EHPGDALDH1A1GAAADORA2A
SCHEMBL14727529 0.86 SMN1; SMN2 (0.49) HPGDALDH1A1GLASMN1; SMN2USP1
SCHEMBL14475050 0.84 CYP1A2 (0.54) MAP4K4KDM4EHPGDALDH1A1GAA
SCHEMBL14474998 0.83 ABCG2 (0.55) MAP4K4KDM4EHPGDALDH1A1ADORA2A
SCHEMBL14474077 0.83 CYP1A2 (0.65) ALDH1A1GLAUSP1WDR48CYP1A2
SCHEMBL14475104 0.83 ALDH1A1 (0.48) KDM4EHPGDALDH1A1GLASMN1; SMN2
SCHEMBL14474609 0.83 CYP1A2 (0.65) KDM4EHPGDALDH1A1USP1WDR48
SCHEMBL14475159 0.83 MAP4K4 (0.56) MAP4K4KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL14475168 0.81 PIK3CA (0.49) MAP4K4ALDH1A1GLASMN1; SMN2ADORA2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3056207-B1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMA CO LTD (JP) 2018-06-20 — — EP disclosed
EP-3056207-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE Otsuka Pharmaceutical Co., Ltd. (JP) 2016-08-17 — — EP disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 — — US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 — — US disclosed
US-9073890-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 — — US disclosed
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — US disclosed
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 — — US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 — — US disclosed
WO-2013003586-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA MAP4K4 611/4885KDM4E 1215/4885HPGD 3943/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG MAP4K4 467/4885KDM4E 1069/4885HPGD 4551/4885
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB MAP4K4 635/4885KDM4E 1395/4885HPGD 4227/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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